heptadeca-1,7-diene

C17H32 — CID 57204265

IUPACheptadeca-1,7-diene
SMILESC=CCCCCC=CCCCCCCCCC
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15H,1,4-12,14,16-17H2,2H3
InChIKeyQOEGDBBTRNEFQJ-UHFFFAOYSA-N
MW236.44 g/mol
LogP6.43
Rot. Bonds13

About heptadeca-1,7-diene

heptadeca-1,7-diene (PubChem CID 57204265) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is heptadeca-1,7-diene.

Molecular Properties

Compound Nameheptadeca-1,7-diene
PubChem CID57204265
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameheptadeca-1,7-diene
SMILESC=CCCCCC=CCCCCCCCCC
InChIInChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15H,1,4-12,14,16-17H2,2H3
InChIKeyQOEGDBBTRNEFQJ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
hexadec-6-ene;hex-1-ene
CID 158850904
tricosa-1,6-diene
CID 175196703
nonacosa-1,7,9,21-tetraene
CID 175853197

Frequently Asked Questions

What is the IUPAC name of heptadeca-1,7-diene?
The IUPAC name of heptadeca-1,7-diene (CID 57204265) is heptadeca-1,7-diene.
What is the SMILES notation for heptadeca-1,7-diene?
The canonical SMILES for heptadeca-1,7-diene is C=CCCCCC=CCCCCCCCCC.
What is the InChIKey of heptadeca-1,7-diene?
The InChIKey is QOEGDBBTRNEFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15H,1,4-12,14,16-17H2,2H3.
What are the key properties of heptadeca-1,7-diene?
heptadeca-1,7-diene has a molecular weight of 236.44 g/mol, XLogP of 6.43, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,7-diene is sourced from PubChem (CID 57204265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).